(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one

C11H12O3 — CID 11745469

IUPAC(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)[C@H](c2ccccc2)O1
InChIInChI=1S/C11H12O3/c1-11(2)13-9(10(12)14-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3/t9-/m0/s1
InChIKeyJKKLKPFEVGIRGI-VIFPVBQESA-N
MW192.21 g/mol
LogP2.04
Rot. Bonds1

About (5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one

(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one (PubChem CID 11745469) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one
PubChem CID11745469
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)[C@H](c2ccccc2)O1
InChIInChI=1S/C11H12O3/c1-11(2)13-9(10(12)14-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3/t9-/m0/s1
InChIKeyJKKLKPFEVGIRGI-VIFPVBQESA-N
XLogP2.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 3-phenylglycidate
CID 8469
Ethyl 3-methyl-3-phenylglycidate
CID 6501
Ethyl mandelate
CID 13050
Methoxyphenylacetic acid
CID 107202
Benzyl laurate
CID 8791
Benzyl octanoate
CID 82511
Benzyl caprate
CID 562246
METHYL beta-PHENYLGLYCIDATE
CID 86834
Benzyl mandelate
CID 13461
gamma-Phenyl-gamma-butyrolactone
CID 13884
1,3-Dioxolane, 2-methyl-4-phenyl-
CID 118119
(+)-O-Acetyl-L-mandelic Acid
CID 6923379

Frequently Asked Questions

What is the IUPAC name of (5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one?
The IUPAC name of (5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one (CID 11745469) is (5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one.
What is the SMILES notation for (5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one?
The canonical SMILES for (5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one is CC1(C)OC(=O)[C@H](c2ccccc2)O1.
What is the InChIKey of (5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one?
The InChIKey is JKKLKPFEVGIRGI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12O3/c1-11(2)13-9(10(12)14-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3/t9-/m0/s1.
What are the key properties of (5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one?
(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one has a molecular weight of 192.21 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one is sourced from PubChem (CID 11745469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).